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1-(1-ADAMANTYL)-3-PHENYL-4-(ALPHA-NAPHTYL)-1,2,4-TRIAZOL-5-YLIDENE
SpectraBase Compound ID 3Bm78rtvqd7
InChI InChI=1S/C28H29N3/c1-2-8-24(9-3-1)27-29-31(28-16-20-13-21(17-28)15-22(14-20)18-28)19-30(27)26-12-6-10-23-7-4-5-11-25(23)26/h1-12,20-22H,13-19H2/t20-,21+,22-,28-
InChIKey QMBOFGMLCJJTFS-VXFDCQMPSA-N
Mol Weight 407.56 g/mol
Molecular Formula C28H29N3
Exact Mass 407.236148 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 58pUFaOYBsx
Name 1-(1-ADAMANTYL)-3-PHENYL-4-(ALPHA-NAPHTYL)-1,2,4-TRIAZOL-5-YLIDENE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H29N3
InChI InChI=1S/C28H29N3/c1-2-8-24(9-3-1)27-29-31(28-16-20-13-21(17-28)15-22(14-20)18-28)19-30(27)26-12-6-10-23-7-4-5-11-25(23)26/h1-12,20-22H,13-19H2/t20-,21+,22-,28-
InChIKey QMBOFGMLCJJTFS-VXFDCQMPSA-N
Literature Reference Author N.I.KOROTKIKH,G.F.RAYENKO,O.P.SHAIKA,T.M.PEKHTEREVA,A.H.COWL EY,J.N.JONES,C.L.B.M
Literature Reference Citation J.ORG.CHEM.,68,5762(2003)
Literature Reference DOI 10.1021/jo034234n
Molecular Weight 407.558 g/mol
Solvent C6D6
Source File Reference UWLU24291